SCHEMBL21160628

SCHEMBL21160628

c1ccc2c3c(ccc2c1)CN(C1CCCCC1N1COc2c(ccc4ccccc24)C1)CO3

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CYP1B1 Q16678 1/20 0.35
NFKB1 P19838 9/20 0.34
NFKB2 Q00653 9/20 0.34
RELA Q04206 9/20 0.34
SLC18A3 Q16572 1/20 0.34
KCNA5 P22460 1/20 0.33
SCN5A Q14524 1/20 0.33
HSD17B10 Q99714 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15827402 0.75 KDM4E (0.58) CYP1A2KDM4EMAPTHSD17B10
SCHEMBL12913705 0.73 VDR (0.45) CYP1A2KDM4EMAPTNFKB1NFKB2
SCHEMBL21160631 0.72 HTR1A (0.41) CYP1A2KDM4EMAPTNFKB1NFKB2
SCHEMBL21160632 0.72 CYP1A2 (0.52) CYP1A2KDM4EMAPT
SCHEMBL21160841 0.71 CYP1A2 (0.71) CYP1A2KDM4EMAPTNFKB1NFKB2
SCHEMBL20530689 0.69 MEN1 (0.41) KDM4EMAPTNFKB1HSD17B10
SCHEMBL20530696 0.69 MEN1 (0.41) KDM4EMAPTNFKB1HSD17B10
SCHEMBL21160630 0.69 CYP1A2 (0.49) CYP1A2KDM4EMAPTHSD17B10
SCHEMBL12913695 0.69 GAA (0.49) CYP1A2KDM4EMAPTNFKB1NFKB2
SCHEMBL21160440 0.68 VDR (0.38) CYP1A2KDM4EMAPTCYP1B1NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11215928-B2 Composition for resist underlayer film formation, resist underlayer film and method for forming the same, and production method of a patterned substrate JSR CORPORATION (JP) 2022-01-04 US disclosed
US-20190212650-A1 COMPOSITION FOR RESIST UNDERLAYER FILM FORMATION, RESIST UNDERLAYER FILM AND METHOD FOR FORMING THE SAME, AND PRODUCTION METHOD OF A PATTERNED SUBSTRATE JSR CORPORATION (JP) 2019-07-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11215928-B2 Composition for resist underlayer film formation, resist underlayer film and method for forming the same, and production method of a patterned substrate TOP1, OXA1L, RER1 CYP1A2 273/4885KDM4E 1890/4885MAPT 3830/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.